2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

C24H19FN2O4S — CID 15944712

IUPAC2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H19FN2O4S/c1-16-7-10-19(11-8-16)32(30,31)22-14-27(15-23(28)26-18-5-3-2-4-6-18)21-12-9-17(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28)
InChIKeyPHHDSKOKBTXUMA-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.92
Rot. Bonds5

About 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 15944712) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID15944712
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC Name2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H19FN2O4S/c1-16-7-10-19(11-8-16)32(30,31)22-14-27(15-23(28)26-18-5-3-2-4-6-18)21-12-9-17(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28)
InChIKeyPHHDSKOKBTXUMA-UHFFFAOYSA-N
XLogP3.92
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 15944712) is 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is PHHDSKOKBTXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-16-7-10-19(11-8-16)32(30,31)22-14-27(15-23(28)26-18-5-3-2-4-6-18)21-12-9-17(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 450.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 15944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).